N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide

C20H21N3O2S3 — CID 71881584

IUPACN-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
SMILESCSc1sc(NC(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)nc1C
InChIInChI=1S/C20H21N3O2S3/c1-13-19(26-2)28-20(21-13)22-17(24)16-12-15(14-6-4-3-5-7-14)18(27-16)23-8-10-25-11-9-23/h3-7,12H,8-11H2,1-2H3,(H,21,22,24)
InChIKeyHFPUFIIAABCWML-UHFFFAOYSA-N
MW431.61 g/mol
LogP4.99
Rot. Bonds5

About N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide

N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide (PubChem CID 71881584) has the molecular formula C20H21N3O2S3 and a molecular weight of 431.61 g/mol. Its IUPAC name is N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
PubChem CID71881584
Molecular FormulaC20H21N3O2S3
Molecular Weight431.61 g/mol
Exact Mass431.08
IUPAC NameN-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
SMILESCSc1sc(NC(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)nc1C
InChIInChI=1S/C20H21N3O2S3/c1-13-19(26-2)28-20(21-13)22-17(24)16-12-15(14-6-4-3-5-7-14)18(27-16)23-8-10-25-11-9-23/h3-7,12H,8-11H2,1-2H3,(H,21,22,24)
InChIKeyHFPUFIIAABCWML-UHFFFAOYSA-N
XLogP4.99
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.61
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
The IUPAC name of N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide (CID 71881584) is N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
The canonical SMILES for N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide is CSc1sc(NC(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)nc1C.
What is the InChIKey of N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
The InChIKey is HFPUFIIAABCWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S3/c1-13-19(26-2)28-20(21-13)22-17(24)16-12-15(14-6-4-3-5-7-14)18(27-16)23-8-10-25-11-9-23/h3-7,12H,8-11H2,1-2H3,(H,21,22,24).
What are the key properties of N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide has a molecular weight of 431.61 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide is sourced from PubChem (CID 71881584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).